☆12Sep 1, 2025Updated 8 months ago
Alternatives and similar repositories for dielectric-pred
Users that are interested in dielectric-pred are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Phonons from ML force fields☆23Mar 22, 2026Updated last month
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆24Oct 28, 2024Updated last year
- Reproduction of CGCNN for predicting material properties☆27Apr 6, 2026Updated 3 weeks ago
- ☆49Updated this week
- Structural constraint integration in a generative model for the discovery of quantum materials☆31Oct 2, 2025Updated 7 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 6 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated 2 months ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Different utilities used by our group☆31Feb 6, 2026Updated 2 months ago
- Generate symmetrized force constants☆27Updated this week
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆14Sep 22, 2025Updated 7 months ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 6 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆29Apr 15, 2026Updated 2 weeks ago
- High-throughput workflows to calculate surface energies of solids.☆12Jun 24, 2024Updated last year
- Get prediction intervals, confidence intervals, and parameter uncertainties for various machine learning models☆19Feb 9, 2026Updated 2 months ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 2 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- ML potentials via transfer learning☆26Apr 16, 2026Updated 2 weeks ago
- Implementation of "Chemical Design with GPU-based Ising Machine"☆14Jul 11, 2023Updated 2 years ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆26Apr 19, 2026Updated 2 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆58Apr 1, 2026Updated last month
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆31Apr 7, 2026Updated 3 weeks ago
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆28Mar 8, 2025Updated last year
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- ☆20Oct 18, 2022Updated 3 years ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Apr 13, 2026Updated 3 weeks ago
- Generator of polynomial machine learning potentials☆20Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆48Apr 20, 2026Updated 2 weeks ago
- MODNet: a framework for machine learning materials properties☆107May 2, 2025Updated last year
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆33Dec 19, 2024Updated last year
- URL links to phonondb data☆38Feb 16, 2026Updated 2 months ago
- A text-guided diffusion model for crystal structure generation☆78May 30, 2025Updated 11 months ago
- ☆11Feb 1, 2025Updated last year